Table 1 The simulated structure parameter of Mg–B compounds contained lattice constant (Å), bulk modulus B, and its derivative B0′.
Phase | Composition (at.% B) | Magnesium site | Space group | Unit cell lattice parameter (Å) | B (GPa) | B0′ | Reference | ||
|---|---|---|---|---|---|---|---|---|---|
a | b | c | |||||||
MgB2 | 66.7 | 1a (0, 0, 0) | P6/mmm | 3.07 | 3.07 | 3.53 | 151.7 | 3.54 | This work |
3.08 | 3.08 | 3.52 | 157.0 | 3.50 | |||||
3.08 | 3.08 | 3.52 | Exp30 | ||||||
MgB4 | 80 | 4c (0.25, 0.546, 0.362) | Pnma | 5.49 | 4.4 | 7.42 | 158.3 | 3.10 | This work |
5.45 | 4.43 | 7.47 | Cal31 | ||||||
5.46 | 4.43 | 7.47 | Exp32 | ||||||
MgB7 | 87.5 | 4c (0, 0.5, 0) | Imma | 10.47 | 5.97 | 8.11 | 198.2 | 3.56 | This work |
10.46 | 5.97 | 8.10 | 206.5 | Cal20 | |||||
10.48 | 5.98 | 8.12 | 203.1 | Exp22 | |||||
